Information card for entry 7132896

Structure parameters

• Formula: C46 H55 Cl2 N2 O2 Sb
• Calculated formula: C46 H55 Cl2 N2 O2 Sb
• SMILES: [Sb]123(n4c(c5c(O3)c(cc(c5)C(C)(C)C)C(C)(C)C)ccc4C(=c3[n]2c(c2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)cc3)c1c(cc(cc1C)C)C)(Cl)Cl
• Title of publication: Synthesis and optical properties of antimony(V) complexes of a trianionic N₂O₂-type tetradentate dipyrrin ligand.
• Authors of publication: Agou, Tomohiro; Kuroiwa, Shunsuke; Fukumoto, Hiroki; Nabeshima, Tatsuya
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 34
• Pages of publication: 4557 - 4560
• a: 20.0826 ± 0.0009 Å
• b: 14.1346 ± 0.0005 Å
• c: 15.2463 ± 0.0007 Å
• α: 90°
• β: 100.815 ± 0.005°
• γ: 90°
• Cell volume: 4250.9 ± 0.3 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No